Relationship between the 13C-NMR Chemical Shift and the Carcinogenic Activity of Benz[α]anthracenes
A thorough NMR spectroscopic investigation was made on 7, 12-dimethylbenz[α]anthracene (1) and the 1H-and 13C-NMR spectra were completely assigned. We compared the 13C-NMR chemical shifts (δ) of three benz[α]anthracenes, including compound 1, whose carcinogenicities vary largely, and investigated th...
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| Veröffentlicht in: | Chemical & pharmaceutical bulletin 1996/02/15, Vol.44(2), pp.424-428 |
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| container_title | Chemical & pharmaceutical bulletin |
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| creator | SAKAMOTO, Yohko AOKI, Toshikazu OHSHIMA, Shigeru |
| description | A thorough NMR spectroscopic investigation was made on 7, 12-dimethylbenz[α]anthracene (1) and the 1H-and 13C-NMR spectra were completely assigned. We compared the 13C-NMR chemical shifts (δ) of three benz[α]anthracenes, including compound 1, whose carcinogenicities vary largely, and investigated the relationship of the δ and carcinogenicity. It was found that the δ values at the C1, C2, and C6 positions differed significantly between the carcinogenic and noncarcinogenic compounds. |
| doi_str_mv | 10.1248/cpb.44.424 |
| format | Article |
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We compared the 13C-NMR chemical shifts (δ) of three benz[α]anthracenes, including compound 1, whose carcinogenicities vary largely, and investigated the relationship of the δ and carcinogenicity. It was found that the δ values at the C1, C2, and C6 positions differed significantly between the carcinogenic and noncarcinogenic compounds.</description><identifier>ISSN: 0009-2363</identifier><identifier>EISSN: 1347-5223</identifier><identifier>DOI: 10.1248/cpb.44.424</identifier><identifier>PMID: 8998844</identifier><identifier>CODEN: CPBTAL</identifier><language>eng</language><publisher>Tokyo: The Pharmaceutical Society of Japan</publisher><subject>7, 12-dimethylbenz[α]anthracence ; Benz(a)Anthracenes - chemistry ; Benz(a)Anthracenes - toxicity ; Biological and medical sciences ; C-1H HOHAHA ; C-NMR ; Carcinogenesis, carcinogens and anticarcinogens ; carcinogenicity ; Carcinogens - chemistry ; Carcinogens - toxicity ; Chemical agents ; chemical shift ; Magnetic Resonance Spectroscopy ; Medical sciences ; Molecular Conformation ; proton HOHAHA ; Structure-Activity Relationship ; Tumors</subject><ispartof>Chemical and Pharmaceutical Bulletin, 1996/02/15, Vol.44(2), pp.424-428</ispartof><rights>The Pharmaceutical Society of Japan</rights><rights>1996 INIST-CNRS</rights><rights>Copyright Japan Science and Technology Agency 1996</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c4494-7e46916c4951b64bc5c57188252da94412b9ef162dcb36698484f8591ab41ea43</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,1883,4024,27923,27924,27925</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=3036687$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/8998844$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>SAKAMOTO, Yohko</creatorcontrib><creatorcontrib>AOKI, Toshikazu</creatorcontrib><creatorcontrib>OHSHIMA, Shigeru</creatorcontrib><title>Relationship between the 13C-NMR Chemical Shift and the Carcinogenic Activity of Benz[α]anthracenes</title><title>Chemical & pharmaceutical bulletin</title><addtitle>Chem. Pharm. Bull.</addtitle><description>A thorough NMR spectroscopic investigation was made on 7, 12-dimethylbenz[α]anthracene (1) and the 1H-and 13C-NMR spectra were completely assigned. We compared the 13C-NMR chemical shifts (δ) of three benz[α]anthracenes, including compound 1, whose carcinogenicities vary largely, and investigated the relationship of the δ and carcinogenicity. It was found that the δ values at the C1, C2, and C6 positions differed significantly between the carcinogenic and noncarcinogenic compounds.</description><subject>7, 12-dimethylbenz[α]anthracence</subject><subject>Benz(a)Anthracenes - chemistry</subject><subject>Benz(a)Anthracenes - toxicity</subject><subject>Biological and medical sciences</subject><subject>C-1H HOHAHA</subject><subject>C-NMR</subject><subject>Carcinogenesis, carcinogens and anticarcinogens</subject><subject>carcinogenicity</subject><subject>Carcinogens - chemistry</subject><subject>Carcinogens - toxicity</subject><subject>Chemical agents</subject><subject>chemical shift</subject><subject>Magnetic Resonance Spectroscopy</subject><subject>Medical sciences</subject><subject>Molecular Conformation</subject><subject>proton HOHAHA</subject><subject>Structure-Activity Relationship</subject><subject>Tumors</subject><issn>0009-2363</issn><issn>1347-5223</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1996</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpFkE1v1DAQhi1EVbaFC3ckS_RUKYs_Jol9LFH5kApIBU4IWY4zabzadRbbCyr_qn-E30SWjZbLzOF9NO_oIeQ5Z0suQL1y23YJsAQBj8iCS6iLUgj5mCwYY7oQspJPyFlKK8ZEyWp5Sk6V1koBLEh3i2ub_RjS4Le0xfwLMdA8IOWyKT5-uKXNgBvv7Jp-HnyfqQ3dv7ix0fkw3mHwjl657H_6fE_Hnr7G8Pvbn4fvNuQhWocB01Ny0tt1wmfzPidf31x_ad4VN5_evm-ubgoHoKGoESrNKwe65G0FrStdWXOlRCk6qwG4aDX2vBKda2VVaQUKelVqblvgaEGek5eHu9s4_thhymY17mKYKg2HigmlhdATdXmgXBxTitibbfQbG-8NZ2bv00w-DYCZfE7wi_nkrt1gd0RngVN-Mec2TZL6aIPz6YhJNj2q6glrDtgqZXuHx9zG7N0a941cl2rfKuYh4H862GgwyL-zW5Pp</recordid><startdate>1996</startdate><enddate>1996</enddate><creator>SAKAMOTO, Yohko</creator><creator>AOKI, Toshikazu</creator><creator>OHSHIMA, Shigeru</creator><general>The Pharmaceutical Society of Japan</general><general>Maruzen</general><general>Japan Science and Technology Agency</general><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7TK</scope><scope>7TM</scope><scope>7U9</scope><scope>H94</scope></search><sort><creationdate>1996</creationdate><title>Relationship between the 13C-NMR Chemical Shift and the Carcinogenic Activity of Benz[α]anthracenes</title><author>SAKAMOTO, Yohko ; AOKI, Toshikazu ; OHSHIMA, Shigeru</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c4494-7e46916c4951b64bc5c57188252da94412b9ef162dcb36698484f8591ab41ea43</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1996</creationdate><topic>7, 12-dimethylbenz[α]anthracence</topic><topic>Benz(a)Anthracenes - chemistry</topic><topic>Benz(a)Anthracenes - toxicity</topic><topic>Biological and medical sciences</topic><topic>C-1H HOHAHA</topic><topic>C-NMR</topic><topic>Carcinogenesis, carcinogens and anticarcinogens</topic><topic>carcinogenicity</topic><topic>Carcinogens - chemistry</topic><topic>Carcinogens - toxicity</topic><topic>Chemical agents</topic><topic>chemical shift</topic><topic>Magnetic Resonance Spectroscopy</topic><topic>Medical sciences</topic><topic>Molecular Conformation</topic><topic>proton HOHAHA</topic><topic>Structure-Activity Relationship</topic><topic>Tumors</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>SAKAMOTO, Yohko</creatorcontrib><creatorcontrib>AOKI, Toshikazu</creatorcontrib><creatorcontrib>OHSHIMA, Shigeru</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Neurosciences Abstracts</collection><collection>Nucleic Acids Abstracts</collection><collection>Virology and AIDS Abstracts</collection><collection>AIDS and Cancer Research Abstracts</collection><jtitle>Chemical & pharmaceutical bulletin</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>SAKAMOTO, Yohko</au><au>AOKI, Toshikazu</au><au>OHSHIMA, Shigeru</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Relationship between the 13C-NMR Chemical Shift and the Carcinogenic Activity of Benz[α]anthracenes</atitle><jtitle>Chemical & pharmaceutical bulletin</jtitle><addtitle>Chem. Pharm. Bull.</addtitle><date>1996</date><risdate>1996</risdate><volume>44</volume><issue>2</issue><spage>424</spage><epage>428</epage><pages>424-428</pages><issn>0009-2363</issn><eissn>1347-5223</eissn><coden>CPBTAL</coden><abstract>A thorough NMR spectroscopic investigation was made on 7, 12-dimethylbenz[α]anthracene (1) and the 1H-and 13C-NMR spectra were completely assigned. We compared the 13C-NMR chemical shifts (δ) of three benz[α]anthracenes, including compound 1, whose carcinogenicities vary largely, and investigated the relationship of the δ and carcinogenicity. It was found that the δ values at the C1, C2, and C6 positions differed significantly between the carcinogenic and noncarcinogenic compounds.</abstract><cop>Tokyo</cop><pub>The Pharmaceutical Society of Japan</pub><pmid>8998844</pmid><doi>10.1248/cpb.44.424</doi><tpages>5</tpages><oa>free_for_read</oa></addata></record> |
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| ispartof | Chemical and Pharmaceutical Bulletin, 1996/02/15, Vol.44(2), pp.424-428 |
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| language | eng |
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| source | J-STAGE Free; MEDLINE; EZB-FREE-00999 freely available EZB journals; Free Full-Text Journals in Chemistry |
| subjects | 7, 12-dimethylbenz[α]anthracence Benz(a)Anthracenes - chemistry Benz(a)Anthracenes - toxicity Biological and medical sciences C-1H HOHAHA C-NMR Carcinogenesis, carcinogens and anticarcinogens carcinogenicity Carcinogens - chemistry Carcinogens - toxicity Chemical agents chemical shift Magnetic Resonance Spectroscopy Medical sciences Molecular Conformation proton HOHAHA Structure-Activity Relationship Tumors |
| title | Relationship between the 13C-NMR Chemical Shift and the Carcinogenic Activity of Benz[α]anthracenes |
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